File name: Pandora206s1_BuffaloNY_20240819_L2Fit_fout2c6d20240814p1-8.txt File generation date: 20241204T193535.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v6d20240814.txt Level 1 file used: Pandora206s1_BuffaloNY_20240819_L1_smca1c6d20240814p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20240819 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0348 305.1758 305.3167 305.4577 305.5987 305.7396 305.8805 306.0215 306.1624 306.3033 306.4442 306.5850 306.7259 306.8668 307.0076 307.1484 307.2893 307.4301 307.5709 307.7117 307.8524 307.9932 308.1340 308.2747 308.4154 308.5561 308.6968 308.8375 308.9782 309.1189 309.2596 309.4002 309.5408 309.6815 309.8221 309.9627 310.1033 310.2438 310.3844 310.5250 310.6655 310.8060 310.9466 311.0871 311.2276 311.3681 311.5085 311.6490 311.7894 311.9299 312.0703 312.2107 312.3511 312.4915 312.6319 312.7723 312.9126 313.0530 313.1933 313.3336 313.4740 313.6143 313.7545 313.8948 314.0351 314.1753 314.3156 314.4558 314.5960 314.7362 314.8764 315.0166 315.1568 315.2970 315.4371 315.5772 315.7174 315.8575 315.9976 316.1377 316.2777 316.4178 316.5579 316.6979 316.8379 316.9780 317.1180 317.2580 317.3980 317.5379 317.6779 317.8178 317.9578 318.0977 318.2376 318.3775 318.5174 318.6573 318.7972 318.9370 319.0769 319.2167 319.3565 319.4963 319.6361 319.7759 319.9157 320.0554 320.1952 320.3349 320.4747 320.6144 320.7541 320.8938 321.0335 321.1731 321.3128 321.4524 321.5921 321.7317 321.8713 322.0109 322.1505 322.2900 322.4296 322.5692 322.7087 322.8482 322.9877 323.1272 323.2667 323.4062 323.5457 323.6851 323.8246 323.9640 324.1034 324.2428 324.3822 324.5216 324.6610 324.8003 324.9397 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20240819T133149.3Z 8997.563765 257 1 24.00 2 57.36 104.25 127.48 281.65 0.00 1 0.00 1 0 17 1.000e-01 2.204e-02 7.925e-02 1.549e-02 2.740901e-01 7.752700e-03 3.195512e-03 -6.000000e+00 5.688885e-02 231.42 -2.00 3.55 -2.00 318.01 0.00e+00 1.448071e-03 1.343196e-03 4.355846e-04 -6.000000e+00 2.526134e-03 287.57 -2.00 20.00 -2.00 317.16 0.00e+00 1.848 0.000 302.00 328.00 3 7.1959e+00 2.0960e-02 2.3289e-02 -6.0000e+00 1.4244e-01 7.5643e-02 2.3802e-02 1.4832e-02 -6.0000e+00 1.5421e-01 2.8596e-02 1.5076e-02 6.9145e-03 -6.0000e+00 9.1848e-02 -1.7923e-02 7.6689e-03 2.5227e-03 -6.0000e+00 3.9055e-02 4.3717e-05 6.8258e-04 4.3303e-04 2.2135e-05 -6.0000e+00 2.5511e-03 5.7419e-03 0.0000e+00 12 8 8 10 0 0 56.89 17.15 1.86 0.00574 0.01087 6 6 2 8 0 4000.000 15.00 17.15 21.67 19.96 19.75 23.4 949.66 -37319 22642 -21153 20147 38819 51100 38108 9589 7174 13191 15439 -1700 -15699 16868 21969 2630 33198 2703 -2794 11959 19105 -1678 18493 7766 314 -15506 -4235 -5127 -2820 18727 -3693 8259 3331 11980 -660 -2094 -5749 -4764 12236 -998 -763 -2424 -1125 -2605 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-148 -3933 2817 -593 2906 -169 3195 -1082 -990 -1989 1897 446 1891 1886 -3428 78 890 3523 -4472 480 -2436 1253 -3384 812 -2847 1645 284 -126 964 -1207 2154 -3196 -2073 -3602 1256 -58 3526 -217 1521 -3807 353 2266 -516 3997 -1379 -297 1416 -1378 -272 SS 20240819T143413.9Z 8997.607105 292 1 24.00 2 46.74 118.17 137.60 295.31 0.00 1 0.00 1 0 17 5.574e-02 1.761e-02 3.767e-02 1.184e-02 2.390903e-01 5.936157e-03 2.806694e-03 -6.000000e+00 3.168289e-02 231.41 -2.00 3.55 -2.00 317.34 0.00e+00 4.695875e-05 8.598342e-04 1.398038e-04 -6.000000e+00 1.407377e-03 287.57 -2.00 20.00 -2.00 316.50 0.00e+00 1.457 0.000 302.00 328.00 3 7.3077e+00 1.5800e-02 1.9098e-02 -6.0000e+00 7.9325e-02 6.2062e-02 1.7801e-02 1.2421e-02 -6.0000e+00 8.5894e-02 8.0325e-03 1.0676e-02 6.0262e-03 -6.0000e+00 5.1158e-02 -5.4616e-03 5.2344e-03 1.6626e-03 -6.0000e+00 2.1743e-02 6.1388e-05 -4.4343e-04 3.2812e-04 1.6870e-05 -6.0000e+00 1.4215e-03 8.5402e-03 0.0000e+00 12 8 8 10 0 0 94.49 17.12 0.71 0.00854 0.00521 6 6 2 8 0 4000.000 15.00 17.12 21.91 19.96 19.75 23.3 950.85 -19764 26958 -6793 18541 4830 18862 1118 -8001 -9044 4964 8499 -5518 -22481 4035 8297 -1169 21496 -1001 8703 -2120 9114 -6612 2134 4640 -749 -7355 -5462 2873 -2351 10520 -4604 3015 2001 9767 -3178 -3305 -7166 931 3702 -1762 3023 -787 1243 -2209 3649 -1881 -1746 -7926 -654 -1628 709 450 -1617 -300 868 765 -748 5002 866 770 -948 4157 21 3102 -124 -341 -292 -1536 -788 -1074 600 866 1017 -714 4146 62 3423 -5329 -1451 -2842 -2725 351 -2243 -1563 -1661 1628 1155 2201 75 530 9 26 -325 -1000 -1254 -2988 960 938 573 584 2205 -1088 -496 -1845 2022 -1837 925 159 -365 174 1953 -62 -1866 -327 -1345 91 -1489 -1124 -890 -50 1024 917 401 832 1282 -1163 -1662 -1667 1566 -489 1544 -737 2179 -1911 2039 963 -400 1323 144 -48 505 -2257 -943 -2684 2608 -951 1907 493 1623 117 -1025 -1316 672 1086 -807 -4333 679 1518 -261 3965 -238 1951 -548 2155 -1797 538 1212 -216 -2360 -1739 814 -640 2438 -1310 847 615 2915 -995 -986 -2430 335 1556 -898 1612 -453 723 -1342 2071 -1128 -1023 -4777 -357 -917 397 271 -1045 -202 596 533 -540 3402 599 527 -676 3014 17 2640 -109 -274 -216 -1142 -607 -918 556 837 984 -678 3500 51 2409 -3826 -1032 -2310 -2402 332 -2327 -1671 -1905 1886 1414 2759 97 655 11 28 -328 -966 -1275 -3300 1129 1190 777 776 2788 -1310 -553 -2144 2484 -2470 1261 222 -534 269 3132 -100 -3020 -484 -1887 117 -1932 -1512 -1283 -75 1546 1366 606 1196 1728 -1531 -2140 -2133 2076 -683 2219 -1113 3233 -3045 3225 1621 -697 2324 259 -84 844 -3744 -1546 SS 20240819T155329.7Z 8997.662149 333 1 24.01 2 35.66 142.55 148.30 319.79 0.00 1 0.00 1 0 17 5.879e-02 2.445e-02 5.036e-02 1.733e-02 2.104889e-01 8.687872e-03 2.454608e-03 -6.000000e+00 3.342712e-02 231.41 -2.00 3.55 -2.00 317.15 0.00e+00 -4.399835e-04 1.184686e-03 1.725621e-04 -6.000000e+00 1.484480e-03 287.56 -2.00 20.00 -2.00 316.31 0.00e+00 1.230 0.000 302.00 328.00 3 8.0183e+00 2.3057e-02 1.6385e-02 -6.0000e+00 8.3692e-02 3.4867e-02 2.5916e-02 1.0835e-02 -6.0000e+00 9.0615e-02 2.1938e-02 1.5363e-02 5.2643e-03 -6.0000e+00 5.3970e-02 -1.8250e-02 7.4401e-03 1.4555e-03 -6.0000e+00 2.2945e-02 3.9985e-05 -6.6389e-04 4.8346e-04 1.4802e-05 -6.0000e+00 1.4993e-03 6.6468e-03 0.0000e+00 12 8 8 10 0 0 79.26 17.09 4.88 0.00665 0.00166 6 6 2 8 0 4000.000 15.00 17.09 23.23 19.85 19.75 23.3 957.38 -25217 12652 -4522 18446 11346 6228 12238 3815 9982 24675 10602 -8078 -13255 13947 1653 921 -2183 8439 10152 -3356 8113 -4327 11243 3647 372 -11986 -2347 -5064 171 15518 -2176 -428 1916 19097 -1401 -1967 -6081 -2915 6327 -2215 588 -3767 697 460 2432 -2881 -1822 -9274 -1539 -2453 2481 2638 -3415 -3172 -2387 2030 1931 2396 526 195 -3229 5077 69 5808 -2136 1466 -4630 -1823 157 -638 -516 720 424 786 5589 -793 7549 -3305 510 -2979 -1373 2148 -2677 -4818 -514 4102 773 2532 54 952 -977 151 -521 687 -1243 -3258 1216 312 259 7 3195 -1576 2162 -4668 3720 -1306 920 869 655 -464 2215 523 1109 -166 -1634 -294 -3683 -2026 -2847 2225 -391 1967 -598 -1095 964 -4452 -174 -3177 769 -1334 2346 -2051 2062 -2084 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